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Home > Bromides > 1243288-53-0
1243288-53-0 | 2(1H)-Pyrazinone, 5-bromo-1-methyl-
CAS No: 1243288-53-0 Catalog No: AG000LV3 MDL No:MFCD16659841
Product Description
Catalog Number:
AG000LV3
Chemical Name:
2(1H)-Pyrazinone, 5-bromo-1-methyl-
CAS Number:
1243288-53-0
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD16659841
IUPAC Name:
5-bromo-1-methylpyrazin-2-one
InChI:
InChI=1S/C5H5BrN2O/c1-8-3-4(6)7-2-5(8)9/h2-3H,1H3
InChI Key:
OUTMOQVYGNSIMU-UHFFFAOYSA-N
SMILES:
Brc1ncc(=O)n(c1)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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